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Title: Materials Data on Ba2SrI6 by Materials Project

Abstract

Ba2SrI6 is zeta iron carbide-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent I1- atoms to form BaI6 octahedra that share corners with six equivalent SrI6 octahedra and edges with three equivalent BaI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Ba–I bond lengths are 3.47 Å. Sr2+ is bonded to six equivalent I1- atoms to form SrI6 octahedra that share corners with twelve equivalent BaI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Sr–I bond lengths are 3.34 Å. I1- is bonded in a distorted T-shaped geometry to two equivalent Ba2+ and one Sr2+ atom.

Authors:
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1289289
Report Number(s):
mp-754196
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; Ba2SrI6; Ba-I-Sr

Citation Formats

The Materials Project. Materials Data on Ba2SrI6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289289.
The Materials Project. Materials Data on Ba2SrI6 by Materials Project. United States. https://doi.org/10.17188/1289289
The Materials Project. 2020. "Materials Data on Ba2SrI6 by Materials Project". United States. https://doi.org/10.17188/1289289. https://www.osti.gov/servlets/purl/1289289.
@article{osti_1289289,
title = {Materials Data on Ba2SrI6 by Materials Project},
author = {The Materials Project},
abstractNote = {Ba2SrI6 is zeta iron carbide-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent I1- atoms to form BaI6 octahedra that share corners with six equivalent SrI6 octahedra and edges with three equivalent BaI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Ba–I bond lengths are 3.47 Å. Sr2+ is bonded to six equivalent I1- atoms to form SrI6 octahedra that share corners with twelve equivalent BaI6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Sr–I bond lengths are 3.34 Å. I1- is bonded in a distorted T-shaped geometry to two equivalent Ba2+ and one Sr2+ atom.},
doi = {10.17188/1289289},
url = {https://www.osti.gov/biblio/1289289}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}